SCHEMBL27737482

SCHEMBL27737482

O=C(O)CC1CCC(c2ccc(-c3cnc(NC(F)(F)F)o3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 19/20 0.66
SOAT1 P35610 4/20 0.46
FAAH O00519 1/20 0.44
CHRM2 P08172 1/20 0.44
DGAT2 Q96PD7 1/20 0.44
PDE10A Q9Y233 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL180670 0.83 DGAT1 (0.63) DGAT1SOAT1
SCHEMBL180837 0.83 DGAT1 (0.70) DGAT1SOAT1
SCHEMBL180706 0.82 DGAT1 (0.57) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL180890 0.82 DGAT1 (0.64) DGAT1SOAT1
SCHEMBL180715 0.81 DGAT1 (0.66) DGAT1SOAT1
SCHEMBL180461 0.81 DGAT1 (0.65) DGAT1SOAT1
SCHEMBL180803 0.81 DGAT1 (0.61) DGAT1SOAT1FAAHCHRM2DGAT2
SCHEMBL4237043 0.80 DGAT1 (0.71) DGAT1
SCHEMBL180608 0.80 DGAT1 (1.00) DGAT1SOAT1
SCHEMBL180692 0.80 DGAT1 (0.71) DGAT1SOAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103086981-A New compounds NOVARTIS AG 2013-05-08 CN claimed
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN claimed
CN-103288721-A (4-(4-[6-(trifluoromethyl-pyridin-3-ylamino)-n-containing-heteroaryl]-phenyl)-cyclohexyl)-acetic acid derivatives and pharmaceutical uses thereof NOVARTIS AG 2013-09-11 CN disclosed
CN-101415683-B Novel compounds NOVARTIS AG 2013-07-17 CN disclosed
CN-103086981-A New compounds NOVARTIS AG 2013-05-08 CN disclosed
CN-101600437-A method for preventing or treating myocardial ischemia NOVARTIS AG (CH) 2009-12-09 CN disclosed
CN-101415683-A Novel compounds NOVARTIS AG (CH) 2009-04-22 CN disclosed